4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
TL;DR: 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- (CAS 116850-67-0) is a chemical compound with molecular formula C10H10ClN3S and molecular weight 239.0284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
Also Known As: 3-(2-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-, 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole, 4H-1,2,4-Triazole,3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
Technical Specifications
| Molecular Formula | C10H10ClN3S |
| Molecular Weight | 239.0284 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0284 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | CN1C(=NN=C1SC)C2=CC=CC=C2Cl |
| InChIKey | HIYWYLKCJFGGSX-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
Property Insights of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-. With a topological polar surface area (TPSA) of 56.0 Ų, 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-?
The CAS number of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- is 116850-67-0.
What is the molecular formula of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-?
The molecular formula of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- is C10H10ClN3S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-?
The molecular weight of 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- is 239.0284 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-?
You can request a quote for 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.